![{[(3-Nitrophenyl)methylidene]amino}thiourea structure](/static/products/5706/5706-76-3.webp)
{[(3-Nitrophenyl)methylidene]amino}thiourea
TL;DR: {[(3-Nitrophenyl)methylidene]amino}thiourea (CAS 5706-76-3) is a chemical compound with molecular formula C8H8N4O2S and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3-nitrophenyl)methylideneamino]thiourea
Also Known As: NCIOpen2_004029, m-nitrobenzaldehyde thiosemicarbazone, 3-Nitrobenzaldehyde thiosemicarbazone, {[(3-nitrophenyl)methylidene]amino}thiourea, [(3-nitrophenyl)methylideneamino]thiourea
| Molecular Formula | C8H8N4O2S |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.0368 |
| Heavy Atoms | 15 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 5706-76-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=S)N |
| InChIKey | LLRJOBJZEOGDLA-UHFFFAOYSA-N |
Product Overview
{[(3-Nitrophenyl)methylidene]amino}thiourea (CAS 5706-76-3), with molecular formula C8H8N4O2S and molecular weight 224.04 g/mol. IUPAC: [(3-nitrophenyl)methylideneamino]thiourea.
Chemical Property Profile of {[(3-Nitrophenyl)methylidene]amino}thiourea
Property Insights of {[(3-Nitrophenyl)methylidene]amino}thiourea
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[(3-Nitrophenyl)methylidene]amino}thiourea. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for {[(3-Nitrophenyl)methylidene]amino}thiourea. Following Lipinski's Rule of Five, {[(3-Nitrophenyl)methylidene]amino}thiourea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of {[(3-Nitrophenyl)methylidene]amino}thiourea?
The CAS number of {[(3-Nitrophenyl)methylidene]amino}thiourea is 5706-76-3.
What is the molecular formula of {[(3-Nitrophenyl)methylidene]amino}thiourea?
The molecular formula of {[(3-Nitrophenyl)methylidene]amino}thiourea is C8H8N4O2S.
What is the molecular weight of {[(3-Nitrophenyl)methylidene]amino}thiourea?
The molecular weight of {[(3-Nitrophenyl)methylidene]amino}thiourea is 224.04 g/mol.
Where can I buy {[(3-Nitrophenyl)methylidene]amino}thiourea?
You can request a quote for {[(3-Nitrophenyl)methylidene]amino}thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[(3-Nitrophenyl)methylidene]amino}thiourea?
Yes, KEHONG BIO provides custom synthesis services for {[(3-Nitrophenyl)methylidene]amino}thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.